General Information of the Compound
| Compound ID |
CP0551595
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| Compound Name |
(3S,5S)-1-(3,5-dipropoxybenzyl)-5-((R)-2-((1R,3aS,7aR)-4-(2-((3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)propyl)-3-hydroxy-3-methylpyrrolidin-2-one
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| Structure |
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| Formula |
C40H59NO6
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| Molecular Weight |
649.913
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| Canonical SMILES |
CCCOc1cc(CN2[C@@H](C[C@@H](C)[C@H]3CC[C@H]4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@](C)(O)C2=O)cc(OCCC)c1
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| InChI |
InChI=1S/C40H59NO6/c1-7-16-46-33-19-28(20-34(23-33)47-17-8-2)25-41-31(24-40(6,45)38(41)44)18-26(3)35-13-14-36-29(10-9-15-39(35,36)5)11-12-30-21-32(42)22-37(43)27(30)4/h11-12,19-20,23,26,31-32,35-37,42-43,45H,4,7-10,13-18,21-22,24-25H2,1-3,5-6H3/b29-11+,30-12-/t26-,31+,32-,35-,36+,37+,39-,40+/m1/s1
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| InChIKey |
CFPOTVFKDBISPF-JWYAQVCQSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound